6,12-bis(1-adamantyl)-N3,N3,N9,N9-tetrakis(4-methylphenyl)perylene-3,9-diamine

Systemtic Name: 6,12-bis(1-adamantyl)-N3,N3,N9,N9-tetrakis(4-methylphenyl)perylene-3,9-diamine Openeye Name: 6,12-bis(1-adamantyl)-N3,N3,N9,N9-tetrakis(p-tolyl)perylene-3,9-diamine CAS Name: 6,12-bis(1-adamantyl)-N3,N3,N9,N9-tetrakis(4-methylphenyl)perylene-3,9-diamine IUPAC Name: 6,12-bis(1-adamantyl)-3-N,3-N,9-N,9-N-tetrakis(4-methylphenyl)perylene-3,9-diamine Traditional Name: [6,12-bis(1-adamantyl)-9-[4-methyl-N-(p-tolyl)anilino]perylen-3-yl]-bis(p-tolyl)amine Formula: C68H66N2 MolecularWeight: 911.26504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C)C3=C4C=CC(=C5C4=C(C=C3)C6=C(C=CC7=C(C=CC5=C76)N(C8=CC=C(C=C8)C)C9=CC=C(C=C9)C)C12CC3CC(C1)CC(C3)C2)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C)C3=C4C=CC(=C5C4=C(C=C3)C6=C(C=CC7=C(C=CC5=C76)N(C8=CC=C(C=C8)C)C9=CC=C(C=C9)C)C12CC3CC(C1)CC(C3)C2)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C68H66N2/c1-41-5-13-51(14-6-41)69(52-15-7-42(2)8-16-52)61-27-23-57-63-55(61)21-25-59(67-35-45-29-46(36-67)31-47(30-45)37-67)65(63)58-24-28-62(70(53-17-9-43(3)10-18-53)54-19-11-44(4)12-20-54)56-22-26-60(66(57)64(56)58)68-38-48-32-49(39-68)34-50(33-48)40-68/h5-28,45-50H,29-40H2,1-4H3